1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone

C18H19FO2 — CID 60623516

IUPAC1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
SMILESCc1ccc(C(C)C)cc1OCC(=O)c1ccccc1F
InChIInChI=1S/C18H19FO2/c1-12(2)14-9-8-13(3)18(10-14)21-11-17(20)15-6-4-5-7-16(15)19/h4-10,12H,11H2,1-3H3
InChIKeyHYJOUONNOFFJSF-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.52
Rot. Bonds5

About 1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone

1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone (PubChem CID 60623516) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
PubChem CID60623516
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
SMILESCc1ccc(C(C)C)cc1OCC(=O)c1ccccc1F
InChIInChI=1S/C18H19FO2/c1-12(2)14-9-8-13(3)18(10-14)21-11-17(20)15-6-4-5-7-16(15)19/h4-10,12H,11H2,1-3H3
InChIKeyHYJOUONNOFFJSF-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413870
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601
1-(2-fluorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43801047
2-(2-methyl-5-propan-2-ylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 60623581
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
1-(5-ethylthiophen-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 63567064
2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413186
2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 107659414
1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 81004752
2-(2,5-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60623205

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone (CID 60623516) is 1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone is Cc1ccc(C(C)C)cc1OCC(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
The InChIKey is HYJOUONNOFFJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-12(2)14-9-8-13(3)18(10-14)21-11-17(20)15-6-4-5-7-16(15)19/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone has a molecular weight of 286.35 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 60623516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).